BDBM50572213 CHEMBL4851875

SMILES OC(=O)c1cc(F)c2nc(sc2c1)N1CCC2(CC(=C2)c2c(onc2-c2ccccc2OC(F)(F)F)C2CC2)CC1

InChI Key InChIKey=AHBXJXIQDITTRI-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50572213   

TargetBile acid receptor(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572213(CHEMBL4851875)
Affinity DataEC50:  50nMAssay Description:Agonist activity at Gal4-fused human FXR expressed in HEK293 cells incubated for overnight by Steady-Glo luciferase reporter gene based luminescence ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572213(CHEMBL4851875)
Affinity DataIC50: 6.20E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin) expressed in baculovirus infected insect supersomes preincubated for 15 mins followed by addition of NADPH rege...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572213(CHEMBL4851875)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) expressed in baculovirus infected insect supersomes preincubated for 15 mins followed by addition of NADPH rege...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed